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Ethyl 4-quinazolone-2-carboxylate

CAS No.:
29113-33-5
Catalog Number:
AG002XDC
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$94
- +
1g
95%
In Stock USA
United States
$188
- +
5g
95%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG002XDC
Chemical Name:
Ethyl 4-quinazolone-2-carboxylate
CAS Number:
29113-33-5
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD00051583
IUPAC Name:
ethyl 4-oxo-3H-quinazoline-2-carboxylate
InChI:
InChI=1S/C11H10N2O3/c1-2-16-11(15)9-12-8-6-4-3-5-7(8)10(14)13-9/h3-6H,2H2,1H3,(H,12,13,14)
InChI Key:
BMCAWNQKVVTNFP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc2ccccc2c(=O)[nH]1
NSC Number:
159700
Properties
Complexity:
338  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Total synthesis of luotonin A and 14-substituted analogues. Organic & biomolecular chemistry 20070807
Properties